Mol:FL7AACGL0080
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 65 71 0 0 0 0 0 0 0 0999 V2000 | + | 65 71 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2673 1.7836 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2673 1.7836 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2673 0.9538 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2673 0.9538 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5486 0.5388 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5486 0.5388 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8298 0.9538 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8298 0.9538 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8298 1.7836 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8298 1.7836 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5486 2.1986 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5486 2.1986 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1111 0.5388 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1111 0.5388 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6076 0.9538 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6076 0.9538 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6076 1.7836 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6076 1.7836 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1111 2.1986 -0.0882 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.1111 2.1986 -0.0882 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3260 2.1984 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3260 2.1984 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0585 1.7756 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0585 1.7756 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7910 2.1984 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7910 2.1984 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7910 3.0443 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7910 3.0443 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0585 3.4671 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0585 3.4671 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3260 3.0443 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3260 3.0443 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9857 2.1984 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9857 2.1984 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5233 3.4670 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5233 3.4670 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5486 -0.2908 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5486 -0.2908 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4559 0.4750 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4559 0.4750 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3237 -0.7483 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3237 -0.7483 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9772 -1.3486 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9772 -1.3486 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6436 -1.1581 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6436 -1.1581 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3140 -1.3486 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3140 -1.3486 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6606 -0.7483 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6606 -0.7483 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9941 -0.9388 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9941 -0.9388 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6801 -0.9208 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6801 -0.9208 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4834 0.9132 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4834 0.9132 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1368 0.3130 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1368 0.3130 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8033 0.5034 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8033 0.5034 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4737 0.3130 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4737 0.3130 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8203 0.9132 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8203 0.9132 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1538 0.7228 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1538 0.7228 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8411 0.8219 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8411 0.8219 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4282 1.1981 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4282 1.1981 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5611 0.7262 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5611 0.7262 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0692 0.4972 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0692 0.4972 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4283 -0.0399 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4283 -0.0399 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4109 -1.3486 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4109 -1.3486 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3251 -1.7097 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3251 -1.7097 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3140 -1.9333 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3140 -1.9333 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0585 4.3127 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0585 4.3127 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0188 -0.2996 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0188 -0.2996 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5393 -0.9325 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5393 -0.9325 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8487 -0.6641 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8487 -0.6641 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1823 -0.6568 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1823 -0.6568 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6665 -0.1726 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6665 -0.1726 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2707 -0.4915 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2707 -0.4915 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6606 -0.5192 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6606 -0.5192 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2442 -0.8260 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2442 -0.8260 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1628 -1.1440 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1628 -1.1440 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9583 -2.0387 0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9583 -2.0387 0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4290 -2.8540 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4290 -2.8540 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1625 -2.0424 0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1625 -2.0424 0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7666 -2.8718 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7666 -2.8718 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0175 -2.8752 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0175 -2.8752 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3975 -2.1659 0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3975 -2.1659 0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2276 -2.1697 0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2276 -2.1697 0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6425 -2.8828 0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6425 -2.8828 0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2276 -3.5922 -0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2276 -3.5922 -0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3975 -3.5883 -0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3975 -3.5883 -0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4717 -2.8867 0.0509 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4717 -2.8867 0.0509 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6385 -4.3127 -0.0941 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6385 -4.3127 -0.0941 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8666 0.1284 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8666 0.1284 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8371 -0.1474 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8371 -0.1474 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 28 34 1 0 0 0 0 | + | 28 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 25 38 1 0 0 0 0 | + | 25 38 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 22 39 1 0 0 0 0 | + | 22 39 1 0 0 0 0 |
| − | 23 40 1 0 0 0 0 | + | 23 40 1 0 0 0 0 |
| − | 24 41 1 0 0 0 0 | + | 24 41 1 0 0 0 0 |
| − | 29 20 1 0 0 0 0 | + | 29 20 1 0 0 0 0 |
| − | 15 42 1 0 0 0 0 | + | 15 42 1 0 0 0 0 |
| − | 43 44 1 1 0 0 0 | + | 43 44 1 1 0 0 0 |
| − | 44 45 1 1 0 0 0 | + | 44 45 1 1 0 0 0 |
| − | 46 45 1 1 0 0 0 | + | 46 45 1 1 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 43 1 0 0 0 0 | + | 48 43 1 0 0 0 0 |
| − | 43 49 1 0 0 0 0 | + | 43 49 1 0 0 0 0 |
| − | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
| − | 45 51 1 0 0 0 0 | + | 45 51 1 0 0 0 0 |
| − | 46 19 1 0 0 0 0 | + | 46 19 1 0 0 0 0 |
| − | 52 53 2 0 0 0 0 | + | 52 53 2 0 0 0 0 |
| − | 52 54 1 0 0 0 0 | + | 52 54 1 0 0 0 0 |
| − | 54 55 2 0 0 0 0 | + | 54 55 2 0 0 0 0 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 56 57 2 0 0 0 0 | + | 56 57 2 0 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 58 59 2 0 0 0 0 | + | 58 59 2 0 0 0 0 |
| − | 59 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
| − | 60 61 2 0 0 0 0 | + | 60 61 2 0 0 0 0 |
| − | 61 56 1 0 0 0 0 | + | 61 56 1 0 0 0 0 |
| − | 59 62 1 0 0 0 0 | + | 59 62 1 0 0 0 0 |
| − | 39 52 1 0 0 0 0 | + | 39 52 1 0 0 0 0 |
| − | 60 63 1 0 0 0 0 | + | 60 63 1 0 0 0 0 |
| − | 64 65 1 0 0 0 0 | + | 64 65 1 0 0 0 0 |
| − | 48 64 1 0 0 0 0 | + | 48 64 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 64 65 | + | M SAL 1 2 64 65 |
| − | M SBL 1 1 71 | + | M SBL 1 1 71 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 71 0.5960 -0.6199 | + | M SBV 1 71 0.5960 -0.6199 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AACGL0080 | + | ID FL7AACGL0080 |
| − | FORMULA C42H47O23 | + | FORMULA C42H47O23 |
| − | EXACTMASS 919.25081281 | + | EXACTMASS 919.25081281 |
| − | AVERAGEMASS 919.8087800000001 | + | AVERAGEMASS 919.8087800000001 |
| − | SMILES c(O)(c7)c(O)cc(c7)C=CC(=O)OC(C6C)C(O)C(C(O6)OCC(C5O)OC(C(C5O)O)Oc(c2c(c4)cc(c(c4)O)O)cc(c1OC(O3)C(O)C(O)C(C3CO)O)c([o+1]2)cc(c1)O)O | + | SMILES c(O)(c7)c(O)cc(c7)C=CC(=O)OC(C6C)C(O)C(C(O6)OCC(C5O)OC(C(C5O)O)Oc(c2c(c4)cc(c(c4)O)O)cc(c1OC(O3)C(O)C(O)C(C3CO)O)c([o+1]2)cc(c1)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
65 71 0 0 0 0 0 0 0 0999 V2000
-2.2673 1.7836 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2673 0.9538 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5486 0.5388 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8298 0.9538 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8298 1.7836 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5486 2.1986 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1111 0.5388 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6076 0.9538 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6076 1.7836 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1111 2.1986 -0.0882 O 0 3 0 0 0 0 0 0 0 0 0 0
1.3260 2.1984 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0585 1.7756 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7910 2.1984 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7910 3.0443 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0585 3.4671 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3260 3.0443 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9857 2.1984 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5233 3.4670 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5486 -0.2908 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4559 0.4750 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3237 -0.7483 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9772 -1.3486 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6436 -1.1581 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3140 -1.3486 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6606 -0.7483 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9941 -0.9388 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6801 -0.9208 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4834 0.9132 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1368 0.3130 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8033 0.5034 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4737 0.3130 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8203 0.9132 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1538 0.7228 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8411 0.8219 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4282 1.1981 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5611 0.7262 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0692 0.4972 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4283 -0.0399 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4109 -1.3486 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3251 -1.7097 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3140 -1.9333 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0585 4.3127 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0188 -0.2996 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5393 -0.9325 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8487 -0.6641 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1823 -0.6568 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6665 -0.1726 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2707 -0.4915 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6606 -0.5192 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2442 -0.8260 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1628 -1.1440 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9583 -2.0387 0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4290 -2.8540 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1625 -2.0424 0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7666 -2.8718 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0175 -2.8752 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3975 -2.1659 0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2276 -2.1697 0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6425 -2.8828 0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2276 -3.5922 -0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3975 -3.5883 -0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4717 -2.8867 0.0509 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6385 -4.3127 -0.0941 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8666 0.1284 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8371 -0.1474 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 20 1 0 0 0 0
15 42 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 19 1 0 0 0 0
52 53 2 0 0 0 0
52 54 1 0 0 0 0
54 55 2 0 0 0 0
55 56 1 0 0 0 0
56 57 2 0 0 0 0
57 58 1 0 0 0 0
58 59 2 0 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
61 56 1 0 0 0 0
59 62 1 0 0 0 0
39 52 1 0 0 0 0
60 63 1 0 0 0 0
64 65 1 0 0 0 0
48 64 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 64 65
M SBL 1 1 71
M SMT 1 ^CH2OH
M SBV 1 71 0.5960 -0.6199
S SKP 5
ID FL7AACGL0080
FORMULA C42H47O23
EXACTMASS 919.25081281
AVERAGEMASS 919.8087800000001
SMILES c(O)(c7)c(O)cc(c7)C=CC(=O)OC(C6C)C(O)C(C(O6)OCC(C5O)OC(C(C5O)O)Oc(c2c(c4)cc(c(c4)O)O)cc(c1OC(O3)C(O)C(O)C(C3CO)O)c([o+1]2)cc(c1)O)O
M END
